3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C62H55N — CID 170449441

IUPAC3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C62H55N/c1-40-27-28-43-19-9-10-20-46(43)59(40)51-38-50-49-23-13-16-26-54(49)62(52-24-14-11-21-47(52)48-22-12-15-25-53(48)62)56(50)39-58(51)63(44-31-29-42(30-32-44)41-17-7-6-8-18-41)45-33-34-55-57(37-45)61(4,5)36-35-60(55,2)3/h6-8,11-18,21-34,37-39H,9-10,19-20,35-36H2,1-5H3
InChIKeyPRAMTSCYPWCXIW-UHFFFAOYSA-N
MW814.13 g/mol
LogP16.37
Rot. Bonds5

About 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449441) has the molecular formula C62H55N and a molecular weight of 814.13 g/mol. Its IUPAC name is 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170449441
Molecular FormulaC62H55N
Molecular Weight814.13 g/mol
Exact Mass813.43
IUPAC Name3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C62H55N/c1-40-27-28-43-19-9-10-20-46(43)59(40)51-38-50-49-23-13-16-26-54(49)62(52-24-14-11-21-47(52)48-22-12-15-25-53(48)62)56(50)39-58(51)63(44-31-29-42(30-32-44)41-17-7-6-8-18-41)45-33-34-55-57(37-45)61(4,5)36-35-60(55,2)3/h6-8,11-18,21-34,37-39H,9-10,19-20,35-36H2,1-5H3
InChIKeyPRAMTSCYPWCXIW-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.13
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449442
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170448782
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170448816
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
9,9-diphenyl-N-(4-phenylphenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447723
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170448043
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446758
9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446367
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208

Frequently Asked Questions

What is the IUPAC name of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449441) is 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2.
What is the InChIKey of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is PRAMTSCYPWCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N/c1-40-27-28-43-19-9-10-20-46(43)59(40)51-38-50-49-23-13-16-26-54(49)62(52-24-14-11-21-47(52)48-22-12-15-25-53(48)62)56(50)39-58(51)63(44-31-29-42(30-32-44)41-17-7-6-8-18-41)45-33-34-55-57(37-45)61(4,5)36-35-60(55,2)3/h6-8,11-18,21-34,37-39H,9-10,19-20,35-36H2,1-5H3.
What are the key properties of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 814.13 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).